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Information card for entry 1543010
Preview
| Coordinates | 1543010.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C14 H29 N O2 Si |
|---|---|
| Calculated formula | C14 H29 N O2 Si |
| SMILES | C(=O)(C(/C=C/C)O[Si](C(C)C)(C(C)C)C(C)C)N |
| Title of publication | Spontaneous Oxygenation of Siloxy-N-silylketenimines to α-Ketoamides. |
| Authors of publication | Sasaki, Michiko; Ando, Masafumi; Kawahata, Masatoshi; Yamaguchi, Kentaro; Takeda, Kei |
| Journal of publication | Organic letters |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 7 |
| Pages of publication | 1598 - 1601 |
| a | 7.852 ± 0.003 Å |
| b | 8.477 ± 0.004 Å |
| c | 14.445 ± 0.006 Å |
| α | 89.89 ± 0.004° |
| β | 75.96 ± 0.004° |
| γ | 65.051 ± 0.004° |
| Cell volume | 840.2 ± 0.6 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0357 |
| Residual factor for significantly intense reflections | 0.0321 |
| Weighted residual factors for significantly intense reflections | 0.0822 |
| Weighted residual factors for all reflections included in the refinement | 0.0844 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1543010.cif |
| 181401 | 2016-04-04 | cif/ Adding structures of 1543010 via cif-deposit CGI script. |
1543010.cif |
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Users of the data should acknowledge the original authors of the
structural data.